Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004565797 | CeCs2F2I4 | data_[Cs4Ce2I8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ce 1.1200 1.8500 1.0800
I 2.6600 1.4000 1.2733
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3724]
_cell_length_b [8.8908... |
agm001197696 | AlSmSn2 | data_[Sm1Al1Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6062]
_cell_length_b [4.6062]
_cell_length_c [4.6426]
_... |
agm001396788 | BaBiCaPd | data_[Ba4Ca4Bi4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9272]
_cell_length_b [7.... |
agm003079518 | Co3HSi | data_[Co12Si4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5928]
_cell_length_b [5.0430]
_cell_length_c [4.2842]
_cell_... |
agm005894273 | NRu2W3 | data_[Ru8W12N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4_132]
_cell_length_a [6.8603]
_cell_length_b [6.8603]
_cell_length_c [6.8603]
_cel... |
agm004532686 | Al4GaSr2Zn3 | data_[Sr2Al4Zn3Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3806]
_cell_length_b [4.... |
agm004468435 | AsPb | data_[As8Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.0993]
_cell_length_b [7.5115]
_cell_length_c [10.1289]
_cell_angle_alpha [90.0000]
... |
agm001507699 | FIO2Tc | data_[Tc1I1O2F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7808]
_cell_length_b [3.7808]... |
agm004223299 | IrSr2Tl | data_[Sr8Tl4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4476]
_cell_length_b [7.4476]
_cell_length_c [7.4476]
_c... |
agm002731291 | AuSSc2 | data_[Sc8Au4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7132]
_cell_length_b [6.7132]
_cell_length_c [6.7132]
_cel... |
agm002309702 | In3RhYb2 | data_[Yb4In6Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.9273]
_cell_length_b [5.9273]
_cell_length_c [9.1843]... |
oqmd-9207798 | C2Ir4SSb | data_[Sb1Ir4C2S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3837]
_cell_length_b [3.3837... |
agm002671619 | FIrRb2 | data_[Rb8Ir4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ir 2.2000 1.3500 0.7650
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0838]
_cell_length_b [8.0838]
_cell_length_c [8.0838]
_cel... |
agm006089512 | In3Nd6Th | data_[Nd12Th2In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Th 1.3000 1.8000 1.0800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.2232]
_cell_length_b [5.3392]
_cell_length_c [11.5744... |
agm001758276 | AuClOP2 | data_[P2Au1Cl1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8227]
_cell_length_b [4.822... |
agm005510924 | HgLa2 | data_[La8Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1534]
_cell_length_b [7.1534]
_cell_length_c [8.2870]
_cell_angle_alpha [90.0000]
_ce... |
agm002018259 | InIrSe3 | data_[In6Ir6Se18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.7389]
_cell_length_b [6.7389]
_cell_length_c [17.4860]
_c... |
agm003700357 | Ag6Br8Cs | data_[Cs3Ag18Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.7157]
_cell_length_b [11.7157]
_cell_length_c [12.1185]... |
oqmd-7162566 | Ga2ScSn | data_[Sc4Ga8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0179]
_cell_length_b [7.0179]
_cell_length_c [7.0179]
_c... |
mp-2232561 | Cd2Co4MgO8 | data_[Mg2Cd4Co8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6079]
_cell_length_b [5.866... |
agm003656505 | SeTb4Te5 | data_[Tb8Te10Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8854]
_cell_length_b [4.3074]
_cell_length_c [8.7148]
_... |
agm004752574 | Ir2PaPdSi2 | data_[Pa1Si2Ir2Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1876]
_cell_length_b [4.... |
agm003400063 | DyHg2Sm2 | data_[Sm4Dy2Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8294]
_cell_length_b [7.0161]
_cell_length_c [8.4633]
_ce... |
agm004097996 | CrLiTe2 | data_[Li2Cr2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9958]
_cell_length_b [6.5153]
_cell_length_c [7.8223]
_ce... |
agm005692191 | ErHo2Pd | data_[Ho8Er4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9687]
_cell_length_b [9.6174]
_cell_length_c [6.4316]
_ce... |
agm001040523 | GaHgPm | data_[Pm8Ga8Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [5.9460]
_cell_length_b [11.2179]
_cell_length_c [9.0161]
_c... |
mp-1523205 | EuNbO6SmSr | data_[Sr4Sm4Eu4Nb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sm 1.1700 1.8500 1.2290
Eu 1.2000 1.8500 1.1985
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P222]
_cell_length... |
agm001333038 | AgAuNpSn | data_[Np4Ag4Sn4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0898]
_cell_length_b [7.... |
oqmd-9802711 | Pd16Te | data_[Te2Pd32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.2772]
_cell_length_b [2.8345]
_cell_length_c [27.1794]
_cell_angle_alpha [90.0000]
_c... |
agm001090359 | EuGd2Tb | data_[Tb4Eu4Gd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Eu 1.2000 1.8500 1.1985
Gd 1.2000 1.8000 1.0750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1586]
_cell_length_b [8.1586]
_cell_length_c [8.1586]
_c... |
agm004960229 | Ho2LaS6Tb | data_[La3Tb3Ho6S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0172]
_cell_length_b [7.0172... |
agm003764672 | MgRhY6 | data_[Y18Mg3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.9428]
_cell_length_b [6.9428]
_cell_length_c [18.6760]
_cel... |
agm001785614 | InSb2ScTe | data_[Sc1In1Sb2Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6056]
_cell_length_b [5... |
agm001113165 | Er2PuSm | data_[Sm4Er8Pu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
Pu 1.2800 1.7500 0.9675
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9013]
_cell_length_b [7.9013]
_cell_length_c [7.9013]
_c... |
agm004366969 | ScSrZn | data_[Sr2Sc2Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6164]
_cell_length_b [3.6164]
_cell_length_c [12.7803]
_c... |
agm004815494 | Ag2Se4SmY | data_[Sm1Y1Ag2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8717]
_cell_length_b [4.224... |
agm002536834 | NPb3Ta | data_[Ta1Pb3N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Pb 2.3300 1.8000 1.1225
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.5185]
_cell_length_b [5.5185]
_cell_length_c [5.5185]
_cel... |
agm005491614 | AlBa3 | data_[Ba6Al2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.8762]
_cell_length_b [7.9185]
_cell_length_c [7.6145]
_cell_angle_alpha [90.0000]
_cell_a... |
agm004065297 | BeCd3 | data_[Be1Cd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7617]
_cell_length_b [4.7617]
_cell_length_c [4.7617]
_cell_angle_alpha [90.0000]
_cell_... |
agm003000281 | AgNa2Rb2 | data_[Rb4Na4Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.2744]
_cell_length_b [9.2744]
_cell_length_c [6.5905]
_... |
agm005872832 | Pd4TmY | data_[Y2Tm2Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7133]
_cell_length_b [3.6312]
_cell_length_c [6.9487]
_cell... |
agm004463021 | MoPb | data_[Mo6Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.3401]
_cell_length_b [12.5984]
_cell_length_c [6.7762]
_cell_angle_alpha [90.0000]
_cell_... |
agm004625168 | Ca2IrNa3O6 | data_[Na6Ca4Ir2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7274]
_cell_length_b [9.92... |
agm001819106 | Cu5Sn3Te12 | data_[Cu40Sn24Te96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [16.7129]
_cell_length_b [16.7129]
_cell_length_c [16.71... |
agm003397716 | BiNa2S2 | data_[Na8Bi4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.4879]
_cell_length_b [7.7402]
_cell_length_c [6.6679]
_c... |
agm005131621 | Be2Na2Pt5Sn | data_[Na4Be4Sn2Pt10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Be 1.5700 1.0500 0.5900
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.5750]
_cell_length_b [... |
agm001804804 | LaNSnTe2 | data_[La1Sn1Te2N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8155]
_cell_length_b [5.8... |
agm005733395 | Ca6CdNa2 | data_[Na8Ca24Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.5204]
_cell_length_b [10.9937]
_cell_length_c [11.6109]... |
agm003799269 | CrMg2Zr | data_[Mg2Zr1Cr1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8042]
_cell_length_b [2.8042]
_cell_length_c [9.4693]
_... |
agm005773161 | Be2Pt3W | data_[Be2Pt3W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Pt 2.2800 1.3500 0.8050
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.7987]
_cell_length_b [2.7987]
_cell_length_c [9.8871]
_ce... |
agm004033613 | Br2CoRu | data_[Co1Ru1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.8791]
_cell_length_b [3.6180]
_cell_length_c [5.4791]
_ce... |
agm006134549 | Al6Tb5Th | data_[Tb10Th2Al12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Th 1.3000 1.8000 1.0800
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1440]
_cell_length_b [7.2741]
_cell_length_c [15.4351]
... |
agm001594351 | CuFePbSi2 | data_[Fe1Cu1Si2Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3960]
_cell_length_b [4... |
agm005762491 | CdGePt2 | data_[Cd4Ge4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8566]
_cell_length_b [5.5620]
_cell_length_c [7.7491]
_ce... |
agm1000003996 | I3Ru | data_[Ru1I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [17.0607]
_cell_length_b [3.9186]
_cell_length_c [17.0607]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm004768366 | AsBeCs2O4 | data_[Cs16Be8As8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Be 1.5700 1.0500 0.5900
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [4.8796]
_cell_length_b [12.... |
agm005530077 | Sb2U3 | data_[U12Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [7.7431]
_cell_length_b [9.0666]
_cell_length_c [6.9957]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-8901940 | CuN2SnTa4 | data_[Ta4Cu1Sn1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1693]
_cell_length_b [3.16... |
agm005507202 | Al2Cu3 | data_[Al16Cu24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.9398]
_cell_length_b [12.3683]
_cell_length_c [4.7689]
_cell_angle_alpha [90.0000]
_cel... |
agm002420996 | Ba3BeRe | data_[Ba3Be1Re1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Be 1.5700 1.0500 0.5900
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.9332]
_cell_length_b [5.9332]
_cell_length_c [5.9332]
_c... |
agm2000113287 | Au2Rb3 | data_[Rb6Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.8056]
_cell_length_b [12.2975]
_cell_length_c [20.7103]
_cell_angle_alpha [90.0000]
_cell... |
agm004569051 | B4BeHf2Mn2 | data_[Hf4Mn4Be2B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mn 1.5500 1.4000 0.6483
Be 1.5700 1.0500 0.5900
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2733]
_cell_length_b [5.2... |
oqmd-3163920 | LaScV | data_[La4Sc4V4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sc 1.3600 1.6000 0.8850
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9161]
_cell_length_b [6.9161]
_cell_length_c [6.9161]
_cel... |
agm2000143830 | Cl6CsPd | data_[Cs1Pd1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pd 2.2000 1.4000 0.8462
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [8.2072]
_cell_length_b [8.2072]
_cell_length_c [17.7216]
_c... |
agm003483799 | Cu6Ga2Nd | data_[Nd2Ga4Cu12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9099]
_cell_length_b [6.4035]
_cell_length_c [11.8082]
_... |
agm005155306 | Rb2S5SnTm | data_[Rb8Tm4Sn4S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tm 1.2500 1.7500 1.0950
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9607]
_cell_length_b [19... |
agm002927226 | AsK2Zn2 | data_[K4Zn4As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5992]
_cell_length_b [3.5992]
_cell_length_c [22.1573]
_c... |
agm005966796 | TbTm6Y3 | data_[Tb3Y9Tm18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [9.7370]
_cell_length_b [9.7370]
_cell_length_c [11.5979]
_cell... |
agm004803937 | AuPd2Pu4Rh | data_[Pu12Pd6Rh3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0113]
_cell_length_b [5.... |
agm004624646 | O6Rb3RhTb2 | data_[Rb6Tb4Rh2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tb 1.1000 1.7500 0.9815
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9217]
_cell_length_b [10.2... |
mp-559996 | AlO9P3 | data_[Al6P18O54]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3c1]
_cell_length_a [11.0903]
_cell_length_b [11.0903]
_cell_length_c [9.3259]
_c... |
agm005448120 | Pb5Zn | data_[Zn1Pb5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [6.4985]
_cell_length_b [6.4985]
_cell_length_c [5.6384]
_cell_angle_alpha [90.0000]
_cell... |
agm003699927 | KSe8Sm6 | data_[K1Sm6Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sm 1.1700 1.8500 1.2290
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [11.2704]
_cell_length_b [11.2704]
_cell_length_c [4.2636]
_cel... |
agm003490147 | Au6MgZn2 | data_[Mg2Zn4Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1227]
_cell_length_b [7.5895]
_cell_length_c [11.3090]
_... |
agm2000127812 | ScTi3 | data_[Sc2Ti6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ti 1.5400 1.4000 0.8517
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [4.8933]
_cell_length_b [4.8933]
_cell_length_c [20.0653]
_cell_angle_alpha [90.0000]
_cell... |
agm003477466 | AcCd2Hg5 | data_[Ac2Cd4Hg10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1218]
_cell_length_b [8.4002]
_cell_length_c [12.3259]
_... |
agm004689349 | Er3Li3PuSe8 | data_[Li9Er9Pu3Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Er 1.2400 1.7500 1.0300
Pu 1.2800 1.7500 0.9675
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1181]
_cell_length_b [8.... |
agm003598705 | AsPRe | data_[Re4As4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8718]
_cell_length_b [6.2450]
_cell_length_c [6.1951]
_ce... |
agm004988048 | AcS2SeTi | data_[Ac1Ti1Se1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ti 1.5400 1.4000 0.8517
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.7742]
_cell_length_b [4.774... |
agm004995887 | AuCsNdS2 | data_[Cs2Nd2Au2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Nd 1.1400 1.8500 1.2765
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [8.0481]
_cell_length_b [5.165... |
agm002886386 | BiSc2V | data_[Sc8V4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
V 1.6300 1.3500 0.7775
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.8116]
_cell_length_b [7.8116]
_cell_length_c [6.1425]
_cel... |
agm004941390 | GaPm2Pt6Sb | data_[Pm6Ga3Sb3Pt18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ga 1.8100 1.3000 0.7600
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6378]
_cell_length_b [5.... |
agm002673647 | F2TiZr | data_[Zr4Ti4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0575]
_cell_length_b [6.0575]
_cell_length_c [6.0575]
_cel... |
agm001939585 | HMn2Sn | data_[Mn6Sn3H3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Sn 1.9600 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0100]
_cell_length_b [3.0100]
_cell_length_c [18.2628]
_cel... |
agm002582590 | S3SbSr | data_[Sr1Sb1S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0518]
_cell_length_b [5.0518]
_cell_length_c [5.0518]
_cel... |
agm005865898 | Bi3HgSn | data_[Sn2Hg2Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1922]
_cell_length_b [4.5708]
_cell_length_c [8.7969]
_... |
agm004936863 | Br6CsTl2V | data_[Cs3Tl6V3Br18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
V 1.6300 1.3500 0.7775
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0728]
_cell_length_b [8.0728... |
agm005465259 | BrHg4Os | data_[Hg16Os4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Os 2.2000 1.3000 0.6730
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.3538]
_cell_length_b [8.3538]
_cell_length_c [8.3538]
_... |
agm002446521 | Cl3ITe | data_[Te1I1Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3613]
_cell_length_b [5.3613]
_cell_length_c [5.3613]
_cel... |
agm003949090 | ClScSr | data_[Sr2Sc2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sc 1.3600 1.6000 0.8850
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.4969]
_cell_length_b [3.4969]
_cell_length_c [13.7842]
_c... |
oqmd-2012668 | AlKO3 | data_[K4Al4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6239]
_cell_length_b [7.4639]
_cell_length_c [6.7431]
_cell_... |
agm004986890 | CuPaS6Tm2 | data_[Tm2Pa1Cu1S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pa 1.5000 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [6.3195]
_cell_length_b [6.319... |
agm006052336 | Hf4N2Tc | data_[Hf16Tc4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3006]
_cell_length_b [11.1063]
_cell_length_c [11.6505]
_c... |
agm003363643 | In4Pm5Tm2 | data_[Pm10Tm4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3489]
_cell_length_b [3.5843]
_cell_length_c [11.8186]
... |
agm003451386 | AgAs2O4 | data_[Ag2As4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.8610]
_cell_length_b [6.8610]
_cell_length_c [5.8334]
_cell... |
agm003499183 | F6Ge2Sb | data_[Ge8Sb4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.5989]
_cell_length_b [7.7424]
_cell_length_c [8.9476]
_ce... |
agm006028602 | NbSi6U3 | data_[U18Nb6Si36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [10.8080]
_cell_length_b [10.8080]
_cell_length_c [10.9166]
... |
agm004424087 | Br2SeZn | data_[Zn2Se2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3805]
_cell_length_b [6.3927]
_cell_length_c [12.5074]
_c... |
agm002622472 | Cs3VZn | data_[Cs3V1Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.7972]
_cell_length_b [6.7972]
_cell_length_c [6.7972]
_cel... |
agm003611562 | GaHfNb | data_[Hf4Nb4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Nb 1.6000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1073]
_cell_length_b [3.6635]
_cell_length_c [7.3195]
_c... |
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